SCHEMBL933858

SCHEMBL933858

CCC(=O)NCc1ccc(OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
GAA P10253 1/20 0.61
ALDH1A1 P00352 2/20 0.61
PKM P14618 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
CNR1 P21554 2/20 0.58
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CNR2 P34972 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2795232 0.88 NPC1 (0.61) NPC1GAAALDH1A1PKMCA12
SCHEMBL23747822 0.88 SMN1; SMN2 (0.75) NPC1ALDH1A1POLBRAB9AMEN1
SCHEMBL12127405 0.86 CNR1 (0.67) NPC1GAAALDH1A1PKMCNR1
SCHEMBL2797868 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12
SCHEMBL5250976 0.84 NPC1 (0.69) NPC1GAAALDH1A1PKMCA12
SCHEMBL8288439 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12
SCHEMBL5902331 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12
SCHEMBL7529534 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12
SCHEMBL16215809 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12
SCHEMBL2176443 0.84 NPC1 (0.65) NPC1GAAALDH1A1PKMCA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002422-A1 REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2023-01-05 US disclosed
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 WO disclosed
CN-114736197-B Imidazolidinone derivatives and their use 南京医工医药技术有限公司 2022-09-13 CN disclosed
CN-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 CN disclosed
CN-114736197-A Imidazolidinone derivatives and their use 南京医工医药技术有限公司 2022-07-12 CN disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 EP disclosed
WO-2021085636-A1 REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME 学校法人中部大学 2021-05-06 WO disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 WO disclosed
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230002422-A1 REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME NAAA, NOTUM, ASNS NPC1 3098/4885GAA 327/4885ALDH1A1 738/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 NPC1 1827/4885GAA 3022/4885ALDH1A1 2666/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NPC1 2375/4885GAA 1962/4885ALDH1A1 1104/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 NPC1 1431/4885GAA 46/4885ALDH1A1 1220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.